[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-(3-oxidanylpiperidin-1-yl)methanone

Systemtic Name: [3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-(3-oxidanylpiperidin-1-yl)methanone Openeye Name: [3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-(3-hydroxy-1-piperidyl)methanone CAS Name: [3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-(3-hydroxy-1-piperidinyl)methanone IUPAC Name: [3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-(3-hydroxypiperidin-1-yl)methanone Traditional Name: [3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-(3-hydroxypiperidino)methanone Formula: C18H22BrN3O2 MolecularWeight: 392.29018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)N3CCCC(C3)O)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)N3CCCC(C3)O)C)Br

InChI

InChI=1S/C18H22BrN3O2/c1-12-17(19)13(2)22(20-12)10-14-5-3-6-15(9-14)18(24)21-8-4-7-16(23)11-21/h3,5-6,9,16,23H,4,7-8,10-11H2,1-2H3